Mulberrofuran F
| Internal ID | 34ddee57-2ed3-4724-a80c-043d3e488ff4 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | (1S,9R,13R,21S)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-17-(6-hydroxy-1-benzofuran-2-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,11,14,16,18-heptaene-5,15-diol |
| SMILES (Canonical) | CC1=CC2C3C(C1)C4=C(C=C(C=C4)O)OC3(OC5=CC(=CC(=C25)O)C6=CC7=C(O6)C=C(C=C7)O)C8=C(C(=C(C=C8)O)CC=C(C)C)O |
| SMILES (Isomeric) | CC1=C[C@@H]2[C@@H]3[C@@H](C1)C4=C(C=C(C=C4)O)O[C@@]3(OC5=CC(=CC(=C25)O)C6=CC7=C(O6)C=C(C=C7)O)C8=C(C(=C(C=C8)O)CC=C(C)C)O |
| InChI | InChI=1S/C39H34O8/c1-19(2)4-8-26-30(42)11-10-29(38(26)44)39-37-27(25-9-7-24(41)18-34(25)46-39)12-20(3)13-28(37)36-31(43)14-22(16-35(36)47-39)32-15-21-5-6-23(40)17-33(21)45-32/h4-7,9-11,13-18,27-28,37,40-44H,8,12H2,1-3H3/t27-,28-,37-,39+/m0/s1 |
| InChI Key | SCNZCLDHJJSZBK-ROLQACJLSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C39H34O8 |
| Molecular Weight | 630.70 g/mol |
| Exact Mass | 630.22536804 g/mol |
| Topological Polar Surface Area (TPSA) | 133.00 Ų |
| XlogP | 7.90 |
| 89200-00-0 |
| (1S,9R,13R,21S)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-17-(6-hydroxy-1-benzofuran-2-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,11,14,16,18-heptaene-5,15-diol |
| 3aH-Benzo(3,4)(2)benzopyrano(1,8-bc)(1)benzopyran-4,11-diol, 8a-(2,4-dihydroxy-3-(3-methyl-2-butenyl)phenyl)-1,8a,13b,13c-tetrahydro-6-(6-hydroxy-2-benzofuranyl)-2-methyl-, (3aR-(3aalpha,8aalpha,13bbeta,13calpha))- |
| CHEMBL3288841 |
| DTXSID60237572 |
| C39H34O8 |
| C39-H34-O8 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.74% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.37% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.94% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.26% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.63% | 99.15% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 92.50% | 91.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.46% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.38% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.46% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.11% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.77% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.76% | 96.95% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 87.63% | 92.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.63% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.55% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.44% | 96.09% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 85.31% | 85.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.05% | 100.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.96% | 85.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.40% | 90.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 83.72% | 85.30% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 83.65% | 96.39% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 83.54% | 95.00% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 82.75% | 89.05% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 82.37% | 95.17% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.12% | 92.94% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.00% | 89.62% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.52% | 97.21% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 81.35% | 88.84% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 81.30% | 94.03% |
| CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 81.26% | 96.42% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.14% | 94.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.68% | 97.79% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Morus alba |
| Morus indica |
| Sorocea guilleminiana |
| PubChem | 3086294 |
| NPASS | NPC101991 |
| ChEMBL | CHEMBL3288841 |
| LOTUS | LTS0110780 |
| wikiData | Q83119760 |